Chem
J-GLOBAL ID:200907026896751718
Nikkaji number:J122.031D
Pseudoecgonine
プソイドエクゴニン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C9 H15 NO3
Molecular formula furigana:
C9-H15-N-O3
Molecular weight:
185.223
InChI:
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8-/m0/s1
InChI key:
PHMBVCPLDPDESM-YWIQKCBGSA-N
SMILES:
CN1[C@H]2CC[C@@H]1[C@@H]([C@@H](O)C2)C(=O)O
Systematic name (5):
(1β,5β)-3β-ヒドロキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-2α-カルボン酸
(1R,5S)-3β-ヒドロキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-2α-カルボン酸
(1β,5β)-3β-ヒドロキシトロパン-2α-カルボン酸
(1R,2S,3S,5S)-3-ヒドロキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-2-カルボン酸
(1R,2S,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Other name (4):
Pseudoecgonine
プソイドエクゴニン
(1R,5S)-3β-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2α-carboxylic acid
(1β,5β)-3β-Hydroxytropane-2α-carboxylic acid
CAS registry number:
481-38-9
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